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DOE OSTI · 1275882

Materials Data on GaI2 by Materials Project

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Abstract

GaI2 crystallizes in the trigonal R3c space group. The structure is one-dimensional and consists of eighteen GaI2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded to four I1- atoms to form distorted edge-sharing GaI4 trigonal pyramids. There are a spread of Ga–I bond distances ranging from 3.21–3.44 Å. In the second Ga2+ site, Ga2+ is bonded to four I1- atoms to form edge-sharing GaI4 tetrahedra. There are a spread of Ga–I bond distances ranging from 2.58–2.62 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to two Ga2+ atoms. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to two Ga2+ atoms. In the third I1- site, I1- is bonded in a distorted single-bond geometry to two Ga2+ atoms. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two Ga2+ atoms.

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36 MATERIALS SCIENCEcrystal structureGa-IGaI2

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2020-04-29. Materials Data on GaI2 by Materials Project. https://doi.org/10.17188/1275882

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